[azanyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]methylidene]-(cycloheptylideneamino)azanium

Systemtic Name: [azanyl-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]methylidene]-(cycloheptylideneamino)azanium Openeye Name: [amino-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]methylene]-(cycloheptylideneamino)ammonium CAS Name: [amino-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]methylidene]-(cycloheptylideneamino)ammonium IUPAC Name: [amino-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]methylidene]-(cycloheptylideneamino)azanium Traditional Name: [amino-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]methylene]-(cycloheptylideneamino)ammonium Formula: C16H21N6OS+ MolecularWeight: 345.44254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=N[NH+]=C(N)SCN2C(=O)C3=CC=CC=C3N=N2)CC1

Isomeric SMILES

C1CCCC(=N[NH+]=C(N)SCN2C(=O)C3=CC=CC=C3N=N2)CC1

InChI

InChI=1S/C16H20N6OS/c17-16(20-18-12-7-3-1-2-4-8-12)24-11-22-15(23)13-9-5-6-10-14(13)19-21-22/h5-6,9-10H,1-4,7-8,11H2,(H2,17,20)/p+1